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[mmikami@rc.m-kagaku.co.jp]

Hello Xianghjun,

Are you confident with your geometry ?
Which kind of symmetry are you expecting ??
(You might know the answer. If so, why not give us the information ?)
I tried your input file from the original e-mail :
http://www.abinit.org/wws/arc/forum/2003-09/msg00003.html
Then I look into your geometry ... seems the slab model ??
(I also tried to find the geometry with Cerius2, then I did not find
 any high symmetries, but just "P1", even with the tolerance
 deviation of 0.50 angstrom. So the same answer ...)
Could you please check your structure carefully again ?

Regards,
Masayoshi

P.S. The attachment is the picture file of your model... (temp.gif)
Does this have any high symmetries ?

Attachment: temp.gif
Description: application/applefile

On 2003.9.1, at 18:07 Asia/Tokyo, xhongjun wrote:

> Dear Xavier and Masayoshi:
>   I have follow your suggestions.
>  The result is "
> Symmetries : space group P1 (#  1); Bravais aP (primitive triclinic).
> ".
> The result is not anticipated.Can I lower the precision
> of the positions of ions and find the space group?
> Moreover,abinit find the primitive cell is triclinic,
> but not hexagonal.Could you explain it to me?
> Thanks a lot.
> xianghjun
>
> >Xavier Gonze wrote:
> > Dear Xhongjun,
> > Although I have not tried your input file,
> > I agree with Mikami-san about xred. It might also help to use, in 
> > rprim,
> > sqrt(0.75)
> > instead of 0.8660254037 , please see
> > http://www.abinit.org/ABINIT/Infos_v4.1/abinis_help.htm#intro3
> > Xavier